3-[4-(4-fluorophenyl)phenoxy]propan-1-ol

C15H15FO2 — CID 54464679

IUPAC3-[4-(4-fluorophenyl)phenoxy]propan-1-ol
SMILESOCCCOc1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C15H15FO2/c16-14-6-2-12(3-7-14)13-4-8-15(9-5-13)18-11-1-10-17/h2-9,17H,1,10-11H2
InChIKeyXDZZJNWMJGYHIL-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.25
Rot. Bonds5

About 3-[4-(4-fluorophenyl)phenoxy]propan-1-ol

3-[4-(4-fluorophenyl)phenoxy]propan-1-ol (PubChem CID 54464679) has the molecular formula C15H15FO2 and a molecular weight of 246.28 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)phenoxy]propan-1-ol.

Molecular Properties

Compound Name3-[4-(4-fluorophenyl)phenoxy]propan-1-ol
PubChem CID54464679
Molecular FormulaC15H15FO2
Molecular Weight246.28 g/mol
Exact Mass246.11
IUPAC Name3-[4-(4-fluorophenyl)phenoxy]propan-1-ol
SMILESOCCCOc1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C15H15FO2/c16-14-6-2-12(3-7-14)13-4-8-15(9-5-13)18-11-1-10-17/h2-9,17H,1,10-11H2
InChIKeyXDZZJNWMJGYHIL-UHFFFAOYSA-N
XLogP3.25
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[4-(4-fluorophenyl)phenoxy]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-[4-(4-hydroxybutoxy)phenyl]phenoxy]butan-1-ol
CID 71340264
11-[4-[4-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol
CID 15113939
2-[4-(4-fluorophenyl)phenoxy]ethyloxidanium
CID 163801809
3-[4-(4-isocyanophenyl)phenoxy]propan-1-ol
CID 58085326
CID 162335780
CID 162335780
3-(4-fluorophenoxy)propylazanium
CID 42036216
6-(4-pyridin-4-ylphenoxy)hexan-1-ol
CID 67931707
2-[3-(4-fluorophenoxy)propyl-prop-2-enylamino]ethanol
CID 115631794
4-(4-fluorophenoxy)butanamide
CID 43244704
1-fluoro-4-[2-[4-(4-propoxyphenyl)phenyl]ethynyl]benzene
CID 67865457
3-(4-fluorophenoxy)-N-(5-hydroxypentyl)propanamide
CID 107318784
[4-[4-bis(4-fluorophenyl)sulfoniophenyl]sulfanylphenyl]-bis(4-fluorophenyl)sulfanium;[4-[4-bis[4-(2-hydroxyethoxy)phenyl]sulfoniophenyl]sulfanylphenyl]-bis[4-(2-hydroxyethoxy)phenyl]sulfanium
CID 158928680

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenyl)phenoxy]propan-1-ol?
The IUPAC name of 3-[4-(4-fluorophenyl)phenoxy]propan-1-ol (CID 54464679) is 3-[4-(4-fluorophenyl)phenoxy]propan-1-ol.
What is the SMILES notation for 3-[4-(4-fluorophenyl)phenoxy]propan-1-ol?
The canonical SMILES for 3-[4-(4-fluorophenyl)phenoxy]propan-1-ol is OCCCOc1ccc(-c2ccc(F)cc2)cc1.
What is the InChIKey of 3-[4-(4-fluorophenyl)phenoxy]propan-1-ol?
The InChIKey is XDZZJNWMJGYHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FO2/c16-14-6-2-12(3-7-14)13-4-8-15(9-5-13)18-11-1-10-17/h2-9,17H,1,10-11H2.
What are the key properties of 3-[4-(4-fluorophenyl)phenoxy]propan-1-ol?
3-[4-(4-fluorophenyl)phenoxy]propan-1-ol has a molecular weight of 246.28 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenyl)phenoxy]propan-1-ol is sourced from PubChem (CID 54464679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).